![1-[(2-Bromoethane)sulfonyl]butane](/api/spectrum/77LyUCFerQc/structure.png?h=300&w=458 "1-[(2-Bromoethane)sulfonyl]butane")
| SpectraBase Compound ID | 8GE923IgJpk |
|---|---|
| InChI | InChI=1S/C6H13BrO2S/c1-2-3-5-10(8,9)6-4-7/h2-6H2,1H3 |
| InChIKey | LLCZNKNPSIAYMK-UHFFFAOYSA-N |
| Mol Weight | 229.13 g/mol |
| Molecular Formula | C6H13BrO2S |
| Exact Mass | 227.981964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 77LyUCFerQc |
|---|---|
| Name | 1-[(2-Bromoethane)sulfonyl]butane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.981963831 u |
| Formula | C6H13BrO2S |
| InChI | InChI=1S/C6H13BrO2S/c1-2-3-5-10(8,9)6-4-7/h2-6H2,1H3 |
| InChIKey | LLCZNKNPSIAYMK-UHFFFAOYSA-N |
| Molecular Weight | 229.132 g/mol |
| SMILES | C(S(CCBr)(=O)=O)CCC |